Merge pull request #306 from timattox/USER-DPD_updates
d4e8d4738769
·sjplimp / GitHub on Jan 6 2017, 17:58.
pair TIP4P bug fix for cutoffs >> box size
f6a819580c6b
·Steve Plimpton on Jan 6 2017, 17:57.
put enum back in .cpp file
d8ddef37ed54
·Dan Ibanez on Jan 6 2017, 04:56.
remove duplicate enum
70927d08e734
·Dan Ibanez / Dan Ibanez on Jan 6 2017, 04:53.
fix compilation
3941fe9ab748
·Dan Ibanez / Dan Ibanez on Jan 6 2017, 04:53.
trying PairTableRX : public PairTable
318ab9a18506
·Dan Ibanez / Dan Ibanez on Jan 6 2017, 04:53.

Jan 5 2017

Fixed error->all instead of error->one bug in USER-DPD/fix_shardlow.cpp.
8503ac22a859
·Christopher Stone on Jan 5 2017, 19:58.

Jan 3 2017

Updating pair_exp6_rx_kokkos to USER-DPD changes
f220b07625b7
·Stan Moore on Jan 3 2017, 18:36.

Dec 23 2016

Merging USER-DPD updates
cc1b55e0310a
·Stan Moore on Dec 23 2016, 20:36.
USER-DPD: bugfix for new PairExp6rx::polynomialScaling() function.
a1036f2d74be
·Tim Mattox on Dec 23 2016, 17:36.

Dec 22 2016

USER-DPD: Several updates to *_rx files: 1) Added MY_EPSILON to handle machine…
3faa57a413d2
·Tim Mattox on Dec 22 2016, 23:15.
USER-DPD: remove unused variable, and convert some constants to MY_EPSILON
fa435fb51464
·Tim Mattox on Dec 22 2016, 23:05.
Change to allow pair_dpd_fdt_energy_kokkos
a4ab877c4672
·Stan Moore on Dec 22 2016, 21:16.
CPU runtime tested version of pair_multi_lucy_rx_kokkos
f6fe61196da6
·Stan Moore on Dec 22 2016, 19:34.

Dec 20 2016

Merge branch 'USER-DPD_whitespace' into USER-DPD_kokkos
07bee3900295
·Tim Mattox on Dec 20 2016, 18:23.
USER-DPD: more whitespace fixes
c4e02a5d2b60
·Tim Mattox on Dec 20 2016, 17:17.
Change necessary for pair_exp6_rx_kokkos to compile on GPU
889ee78f8ba0
·Stan Moore on Dec 20 2016, 01:15.

Dec 19 2016

Adding CPU runtime tested version of pair_dpd_fdt_energy_kokkos
99910fc43241
·Stan Moore on Dec 19 2016, 23:27.
Changes necessary for runtime testing of Kokkos styles
3f1f51c1c755
·Stan Moore on Dec 19 2016, 21:31.
USER-DPD: Whitespace cleanup to pair_dpd_fdt_energy.cpp
2ba424e1a36e
·Tim Mattox on Dec 19 2016, 21:11.

Dec 17 2016

Small whitespace tweak to pair_dpd_fdt_energy
ac57f4721cea
·Stan Moore on Dec 17 2016, 01:14.
Whitespace cleanup to pair_dpd_fdt_energy, should be cherry-picked to Master
5cae3eca8c43
·Stan Moore on Dec 17 2016, 01:09.

Dec 16 2016

Merge branch 'master' into USER-DPD_kokkos: as of 17Dec16 patch
8474453efdd1
·Tim Mattox on Dec 16 2016, 21:02.
Fixing runtime issues with pair_exp6_rx_kokkos
d93e3d1cee93
·Stan Moore on Dec 16 2016, 18:06.
USER-DPD: fix_eos*: partition all internal energy into the uMech term only This…
eff7238ff224
·Tim Mattox on Dec 16 2016, 16:25.
USER-DPD: Fix #define typo in pair_multi_lucy.h and pair_multi_lucy_rx.h
126fb22e9355
·Tim Mattox on Dec 16 2016, 16:08.

Dec 15 2016

USER-DPD: Update the header files to properly document all error statements…
0a90492c4447
·Tim Mattox on Dec 15 2016, 23:39.
USER-DPD: Bugfix for fix_rx and fix_eos_table_rx to handle restart files. Patch…
fed629c23e56
·Tim Mattox on Dec 15 2016, 23:10.
USER-DPD: Fix hard-wall force interaction bug, and ensure fraction is >= 0…
925481c3f40d
·Tim Mattox on Dec 15 2016, 22:46.
Updates to Kokkos files
c0d6cbbdd3f1
·Stan Moore on Dec 15 2016, 19:18.

Dec 14 2016

Merge branch 'master' into USER-DPD_kokkos
d47c6b276105
·Stan Moore on Dec 14 2016, 19:25.
Reverting accidental change
f93c62d3e203
·Stan Moore on Dec 14 2016, 00:54.
Adding Kokkos files
1dbf6d443f45
·Stan Moore on Dec 14 2016, 00:43.

Dec 9 2016

USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list, instead…
5187cb97e5f1
·Tim Mattox on Dec 9 2016, 22:42.

Dec 7 2016

Merge branch 'master' into new-neighbor
39a12b15d7ea
·Axel Kohlmeyer on Dec 7 2016, 19:40.

Nov 30 2016

Merge branch 'master' into USER-DPD_kokkos: up to date to 30Nov16 patch
3f68d370b505
·Tim Mattox on Nov 30 2016, 22:57.
Finish moving/integrating atom_vec_dpd_kokkos into the Kokkos package
6e6776f39635
·Tim Mattox on Nov 30 2016, 22:25.

Nov 28 2016

Integrating pair_dpd_fdt_energy_kokkos files
6d94439cfe6f
·Stan Moore on Nov 28 2016, 22:42.
Adding pair_exp6_rx_kokkos files
91e38720d5d6
·Stan Moore on Nov 28 2016, 22:25.

Nov 21 2016

USER-DPD: aplly unpack_comm_hybrid bugfix d31121b to atom_vec_dpd_kokkos.cpp
8f7815720229
·Tim Mattox on Nov 21 2016, 18:32.
USER-DPD: initial Kokkos port, first steps from Aug 24th ARL Kokkos hackathon…
1d939231a49d
·Tim Mattox on Nov 21 2016, 18:21.

Nov 18 2016

be more thorough in initializing optional data in pair style dpd/fdt/energy
e175a18bdbd0
·Axel Kohlmeyer on Nov 18 2016, 22:18.

Nov 7 2016

Initializing pointers in USER-DIFFRACTION and USER-DPD
616420cda841
·Anders Hafreager on Nov 7 2016, 20:51.

Oct 26 2016

add error location propagation to force->bounds() and force->boundsbig()
35753b8f089e
·Axel Kohlmeyer on Oct 26 2016, 21:53.

Oct 14 2016

remove unused class members
909ec2c09658
·Axel Kohlmeyer on Oct 14 2016, 18:04.

Oct 12 2016

USER-DPD: Initialize the dpdThetaLocal array consistently in fix_rx
fcb52710267a
·Tim Mattox on Oct 12 2016, 21:56.
USER-DPD bugfix: Properly initialize the local temperature averaging array.
4958e114bac6
·Tim Mattox on Oct 12 2016, 21:46.
Merge pull request #217 from akohlmey/small-fixes
4a5d9eaae23c
·sjplimp / GitHub on Oct 12 2016, 15:32.
Merge pull request #215 from timattox/USER-DPD_bugfix_for_dtsqrt
4e3a55047f0e
·sjplimp / GitHub on Oct 12 2016, 15:30.
update #include statements for system includes
c24bf512f31a
·Axel Kohlmeyer on Oct 12 2016, 06:00.
whitespace cleanup in USER-DPD
adc98e07df5d
·Axel Kohlmeyer on Oct 12 2016, 05:58.

Oct 11 2016

Forgot to remove my call to reset_dt()
2f07a627a27d
·Tim Mattox on Oct 11 2016, 22:30.
USER-DPD Bugfix: reset_dt() is not called when I thought it should be called.
559637f4bcae
·Tim Mattox on Oct 11 2016, 22:11.
Merge pull request #212 from timattox/USER-DPD_fix_eos_atom_style_checks
fbf7df14b55f
·sjplimp / GitHub on Oct 11 2016, 21:40.

Oct 10 2016

USER-DPD: Add atom_style compatibility checks in fix_eos_*.cpp files.
a2b084006467
·Tim Mattox on Oct 10 2016, 19:40.

Oct 7 2016

USER-DPD: whitespace and indentation fixes
9507a786f013
·Tim Mattox on Oct 7 2016, 21:59.
USER-DPD: Added support to use VV integrator with USER-DPD if desired. Includes…
e27ed6c94a2e
·Tim Mattox on Oct 7 2016, 21:03.

Oct 6 2016

Merge branch 'USER-DPD_pair_exp6_rx_mathfix' of https://github.
60a031ebacef
·Axel Kohlmeyer on Oct 6 2016, 20:28.
Merge branch 'USER-DPD_hybrid_atom_bugfix' of https://github.
27e76a70b9d7
·Axel Kohlmeyer on Oct 6 2016, 20:27.
USER-DPD: math corrections in pair_exp6_rx.cpp (by Jim Larentzos)
e1e9a5c12604
·Tim Mattox on Oct 6 2016, 19:49.
USER-DPD: bugfix in unpack_comm_hybrid(); now works with hybrid atom style
d31121b18cde
·Tim Mattox on Oct 6 2016, 19:21.
update include statement format
f9f955d5b5d0
·Axel Kohlmeyer on Oct 6 2016, 04:34.

Sep 9 2016

remove USER-DPD files that should not be where they are
2f02d9846976
·Axel Kohlmeyer on Sep 9 2016, 19:53.
USER-DPD: move nstencil_ssa out of core LAMMPS into USER-DPD
81fcbcd99cd0
·Tim Mattox on Sep 9 2016, 18:19.
USER-DPD: Set missing NP_HALF flag in npair_half_bin_newton_ssa.h
82c6eb467539
·Tim Mattox on Sep 9 2016, 18:19.
USER-DPD: move custom binning stuff to a NBinSSA child class. Removes most SSA…
8ed3f4226e5b
·Tim Mattox on Sep 9 2016, 18:19.

Sep 7 2016

new neighbor list changes
c9c2ae6c6134
·Steve Plimpton on Sep 7 2016, 21:42.

Jul 23 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15355 f3b2605a-c512-4ea7…
cff65b956adc
·sjplimp on Jul 23 2016, 00:52.

Jul 16 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15328 f3b2605a-c512-4ea7…
472fe29a8997
·sjplimp on Jul 16 2016, 01:12.

Jul 9 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7…
a33753ae6f46
·sjplimp on Jul 9 2016, 22:57.

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lammps/src/USER-DPD
mastere42678ed517d8bc95f16da0…